⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10267353 | 0.83 | CYP2D6 (0.32) | — | |
| SCHEMBL10197388 | 0.83 | CYP2D6 (0.32) | — | |
| SCHEMBL1708842 | 0.83 | CYP2D6 (0.32) | — | |
| SCHEMBL19788664 | 0.82 | CYP2D6 (0.41) | — | |
| SCHEMBL24295006 | 0.79 | ATM (0.31) | — | |
| SCHEMBL25988568 | 0.79 | ATM (0.31) | — | |
| SCHEMBL26826539 | 0.79 | ATM (0.31) | — | |
| SCHEMBL20260157 | 0.76 | — | — | |
| SCHEMBL18885463 | 0.76 | — | — | |
| SCHEMBL22984905 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9873679-B2 | Pyrrolidine GPR40 modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-23 | — | — | US | disclosed |